[gmx-users] [gmx-developers] Gromacs 5.0.5 Parallelization GPU Tesla S1070

Antoniel A. S. Gomes agomes at ibb.unesp.br
Fri Dec 11 14:38:33 CET 2015


Hi Szilárd.

Yeah, I saw that. But the problem is: in gromacs website (http://www.gromacs.org/Documentation/Installation_Instructions_4.5/GROMACS-OpenMM) says my GPU card is compatible. Probably if I use an older version of Gromacs it will works right?

Thank you.

Best regards,

Antoniel A. S. Gomes

Bacharel em Ciências Biológicas, UEPB - Campus V
Mestre em Biologia Celular e Molecular, UFPB - Campus I
Doutorando em Biologia Geral e Aplicada, UNESP - Instituto de Biociências - Botucatu
Lattes: http://lattes.cnpq.br/2330777925652141 

----- Mensagem original -----
De: "Szilárd Páll" <pall.szilard at gmail.com>
Para: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Enviadas: Sexta-feira, 11 de dezembro de 2015 11:25:33
Assunto: Re: [gmx-users] [gmx-developers] Gromacs 5.0.5 Parallelization GPU	Tesla S1070

Hi,

The hardware detection output should clearly state that your GPU is
incompatible. As the documentation points out [1], only compute capability
2.0 or newer GPUs are supported with the CUDA acceleration in GROMACS.

http://manual.gromacs.org/documentation/5.1/install-guide/index.html#gpu-support

Cheers,

--
Szilárd

On Fri, Dec 11, 2015 at 2:01 PM, Antoniel A. S. Gomes <agomes at ibb.unesp.br>
wrote:

> Hi.
>
> I'm getting another problem using Gromacs in GPU parallelization
>
> I have a Tesla S1070 (T10 Processor) and I'm trying to compile Gromacs
> 5.0.5 to recognize it.
>
> Firstly, let me specify my hardware/software information:
>
> - Ubuntu 14.04 server (no graphical interface)
> - Tesla S1070 GPU card (T10 Processor):
>      --- PCI bridge: NVIDIA Corporation NF200 PCIe 2.0 switch for Quadro
> Plex S4 / Tesla S870 / Tesla S1070 / Tesla S2050
>      --- 3D controller: NVIDIA Corporation GT200GL [Tesla C1060 / M1060]
>
>
> I tried to follow the suggested tutorials (install nvidia driver, cuda and
> openMM) but mdrun says my card is incompatible, although it's recognized.
>
> I'm afraid if Gromacs 5.0.5 version is able to recognize my GPU card,
> because Tesla S1070 driver (270 version) uses cuda only in 2.2 version (and
> OpenMM needs higher cuda versions).
>
> So, there's a way to configure Tesla S1070 GPU card to get recognized
> using Gromacs 5.0.5? I mean, what drivers versions are needed (or what
> Gromacs versions supports it)?
>
> Best regards,
>
> Antoniel A. S. Gomes
>
> Bacharel em Ciências Biológicas, UEPB - Campus V
> Mestre em Biologia Celular e Molecular, UFPB - Campus I
> Doutorando em Biologia Geral e Aplicada, UNESP - Instituto de Biociências
> - Botucatu
> Lattes: http://lattes.cnpq.br/2330777925652141
> --
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